20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol

C25H47NO2 — CID 67661312

IUPAC20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol
SMILESCCC1COC(CCCCCCCCC=CCCCCCCCCCCO)=N1
InChIInChI=1S/C25H47NO2/c1-2-24-23-28-25(26-24)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27/h3,5,24,27H,2,4,6-23H2,1H3
InChIKeyMLDPJIQRWJPETP-UHFFFAOYSA-N
MW393.66 g/mol
LogP7.37
Rot. Bonds20

About 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol

20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol (PubChem CID 67661312) has the molecular formula C25H47NO2 and a molecular weight of 393.66 g/mol. Its IUPAC name is 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol.

Molecular Properties

Compound Name20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol
PubChem CID67661312
Molecular FormulaC25H47NO2
Molecular Weight393.66 g/mol
Exact Mass393.36
IUPAC Name20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol
SMILESCCC1COC(CCCCCCCCC=CCCCCCCCCCCO)=N1
InChIInChI=1S/C25H47NO2/c1-2-24-23-28-25(26-24)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27/h3,5,24,27H,2,4,6-23H2,1H3
InChIKeyMLDPJIQRWJPETP-UHFFFAOYSA-N
XLogP7.37
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57292642
tridec-10-en-1-ol
CID 53427401
(Z)-hexadec-13-en-1-ol
CID 6431331
hexacos-23-en-1-ol
CID 74976819
(E)-undec-8-en-1-ol
CID 6366560
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
hexadec-8-ene-1,16-diol
CID 54395986
tetradeca-5,8,11-trien-1-ol
CID 165176373
(E)-heptadec-5-en-1-ol
CID 170849266
(E)-docos-9-en-1-ol
CID 23502502
henicos-10-en-1-ol
CID 86069169

Frequently Asked Questions

What is the IUPAC name of 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol?
The IUPAC name of 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol (CID 67661312) is 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol.
What is the SMILES notation for 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol?
The canonical SMILES for 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol is CCC1COC(CCCCCCCCC=CCCCCCCCCCCO)=N1.
What is the InChIKey of 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol?
The InChIKey is MLDPJIQRWJPETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO2/c1-2-24-23-28-25(26-24)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27/h3,5,24,27H,2,4,6-23H2,1H3.
What are the key properties of 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol?
20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol has a molecular weight of 393.66 g/mol, XLogP of 7.37, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)icos-11-en-1-ol is sourced from PubChem (CID 67661312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).